Molecule

ID:110844

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₈I₂N₂
Molecular Mass
442.16236
Exact Mass
442.03419491
Charge
0
InChI
InChI=1S/C11H28N2.2HI/c1-12(2,3)10-8-7-9-11-13(4,5)6;;/h7-11H2,1-6H3;2*1H/q+2;;/p-2
InChIKey
SRFSMBZBBSVMKO-UHFFFAOYSA-L
Canonic Smiles
C[N+](CCCCC[N+](C)(C)C)(C)C.[I-].[I-]
Isomeric Smiles
[I-].[I-].C[N+](C)(C)CCCCC[N+](C)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-7.0939684
LogD (pH = 7.4)
-7.0939684
Log P
-7.0939684
Molar Refractivity
83.9454
Polarizability
23.943758
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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